SCHEMBL19120318

SCHEMBL19120318

Cc1n[nH]c(C)c1C#Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 0.50
▸ KCNH2 Q12809 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ AKT2 P31751 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19120416 0.82 GRM5 (0.46) GRM5KCNH2CYP1A2
SCHEMBL19119846 0.82 GRM5 (0.45) GRM5KCNH2CYP1A2
SCHEMBL19120270 0.81 GRM5 (0.44) GRM5KCNH2CYP1A2
SCHEMBL19120571 0.79 GRM5 (0.42) GRM5KCNH2CYP1A2
Methyl Alcohol SCHEMBL28902013 0.74 GRM5 (0.67) GRM5KCNH2CYP1A2
SCHEMBL352291 0.74 GRM5 (0.65) GRM5KCNH2CYP1A2
SCHEMBL27996721 0.71 GRM5 (0.53) GRM5KCNH2CYP1A2
SCHEMBL17347505 0.70 ADK (0.49) GRM5KCNH2CYP1A2
SCHEMBL1696992 0.67 GRM5 (0.58) GRM5KCNH2CYP1A2
SCHEMBL10515617 0.67 AKT2 (0.58) CYP1A2CHEK1AKT2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941132-B2 Pyrazole derivatives HUA MEDICINE (SHANGHAI) LTD. (CN) 2021-03-09 — — US disclosed
US-20190002432-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2019-01-03 — — US disclosed
WO-2017117708-A1 PYRAZOLE DERIVATIVES HUA MEDICINE (SHANGHAI) LTD. (CN) 2017-07-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10941132-B2 Pyrazole derivatives GRM5, GRIK5, GRIN2C GRM5 1/4885KCNH2 1401/4885CYP1A2 1358/4885
US-20190002432-A1 PYRAZOLE DERIVATIVES GRM5, GRIK5, GRIN2C GRM5 1/4885KCNH2 1401/4885CYP1A2 1358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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